SCHEMBL21032653

SCHEMBL21032653

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccccc2-c2ccc(-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.35
ABCG2 Q9UNQ0 7/20 0.34
ABCB1 P08183 3/20 0.34
CLK4 Q9HAZ1 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR3C1 P04150 1/20 0.33
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22647610 0.97 STS (0.35) STSABCG2ABCB1CLK4MEN1
SCHEMBL22647583 0.97 STS (0.35) STSABCG2ABCB1CLK4MEN1
SCHEMBL21031703 0.97 STS (0.35) STSABCG2ABCB1CLK4MEN1
SCHEMBL20654928 0.96 CYP1A2 (0.36) STSABCG2ABCB1CLK4MEN1
SCHEMBL22647576 0.95 CYP1A2 (0.36) STSABCG2ABCB1CLK4MEN1
SCHEMBL21089886 0.95 ABCG2 (0.36) STSABCG2ABCB1CLK4MEN1
SCHEMBL20114583 0.95 ABCG2 (0.36) STSABCG2ABCB1CLK4MEN1
SCHEMBL24125594 0.94 CYP1A2 (0.35) STSABCG2ABCB1CLK4MEN1
SCHEMBL20655131 0.93 CYP1A2 (0.37) STSABCG2ABCB1CLK4MEN1
SCHEMBL21375296 0.93 STS (0.36) STSABCG2ABCB1CLK4MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200358002-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-12 US disclosed
WO-2019101594-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-05-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200358002-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, AOX1, IKZF3 STS 1321/4885ABCG2 202/4885ABCB1 741/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.